[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine

C9H10FN5 — CID 21069889

IUPAC[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine
SMILESCn1nnc(-c2cc(F)ccc2CN)n1
InChIInChI=1S/C9H10FN5/c1-15-13-9(12-14-15)8-4-7(10)3-2-6(8)5-11/h2-4H,5,11H2,1H3
InChIKeyDVFNGJALTTWBAR-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.47
Rot. Bonds2

About [4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine

[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine (PubChem CID 21069889) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is [4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine
PubChem CID21069889
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine
SMILESCn1nnc(-c2cc(F)ccc2CN)n1
InChIInChI=1S/C9H10FN5/c1-15-13-9(12-14-15)8-4-7(10)3-2-6(8)5-11/h2-4H,5,11H2,1H3
InChIKeyDVFNGJALTTWBAR-UHFFFAOYSA-N
XLogP0.47
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine (CID 21069889) is [4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine is Cn1nnc(-c2cc(F)ccc2CN)n1.
What is the InChIKey of [4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine?
The InChIKey is DVFNGJALTTWBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c1-15-13-9(12-14-15)8-4-7(10)3-2-6(8)5-11/h2-4H,5,11H2,1H3.
What are the key properties of [4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine?
[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine has a molecular weight of 207.21 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 21069889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).